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alpha-Tocopherol
SpectraBase Compound ID 97880qhca0V
InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChIKey GVJHHUAWPYXKBD-UHFFFAOYSA-N
Mol Weight 430.7 g/mol
Molecular Formula C29H50O2
Exact Mass 430.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CWqABrctlyB
Name alpha-Tocopherol
CAS Registry Number 59-02-9
Classification Vitamin
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Exact Mass 430.381080848 u
Formula C29H50O2
InChI InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
InChIKey GVJHHUAWPYXKBD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 430.717 g/mol
SMILES c1(c(c2c(c(c1C)C)OC(C)(CCCC(CCCC(CCCC(C)C)C)C)CC2)C)O
SPLASH splash10-014i-2910200000-df0c7c827d9df30a02f1
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: G P UHY
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Vitamin E
Technique GC/MS
Wiley ID MMPW6e_2403